3-(2-morpholin-4-ylethyl)-1-oxidanidyl-1,2,4-benzotriazin-4-ium 4-oxide chloride

Systemtic Name: 3-(2-morpholin-4-ylethyl)-1-oxidanidyl-1,2,4-benzotriazin-4-ium 4-oxide chloride Openeye Name: 3-(2-morpholinoethyl)-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide chloride CAS Name: 3-[2-(4-morpholinyl)ethyl]-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide chloride IUPAC Name: 3-(2-morpholin-4-ylethyl)-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide chloride Traditional Name: 3-(2-morpholinoethyl)-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide chloride Formula: C13H16ClN4O3- MolecularWeight: 311.74414

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCC2=NN(C3=CC=CC=C3[N+]2=O)[O-].[Cl-]

Isomeric SMILES

C1COCCN1CCC2=NN(C3=CC=CC=C3[N+]2=O)[O-].[Cl-]

InChI

InChI=1S/C13H16N4O3.ClH/c18-16-11-3-1-2-4-12(11)17(19)14-13(16)5-6-15-7-9-20-10-8-15;/h1-4H,5-10H2;1H/p-1